4-(2-prop-2-enoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(2-prop-2-enoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(2-allyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(2-prop-2-enoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(2-prop-2-enoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(2-allyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

C=CCOC1=CC=CC=C1C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C15H15N3O2S/c1-2-7-20-12-6-4-3-5-10(12)14-11-8-16-18-15(11)17-13(19)9-21-14/h2-6,8,14H,1,7,9H2,(H2,16,17,18,19)